UCSF

ZINC59299137

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2011 24 Yes

CAS Number: 13409-53-5

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.23 7.39 -9.94 0 5 0 38 345.468 4
Mid Mid (pH 6-8) 3.23 7.79 -30.4 1 5 1 39 346.476 4

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Analogs ( Draw Identity 99% 90% 80% 70% )